Unlocking chemoproteomic insights with dynamic sar visualization and advanced search
Overview
Excelra partnered with a leading biotech to develop an interactive web-based platform that transforms proteome-wide SAR exploration into an intuitive, high-impact workflow—enabling faster target prioritization and drug candidate selection.
Our client
A global biotech innovator leveraging proprietary chemoproteomics platforms and fragment libraries for high-throughput target discovery.
Client’s challenge
- Struggled to visualize and interpret SAR data from large-scale chemical screens.
- Lacked tools for comparative compound/scaffold analysis.
- Required a scalable, dynamic interface to support iterative SAR discovery.
Client’s goals
- Develop a scalable, interactive web platform tailored to chemoproteomics data.
- Enable visual, data-driven SAR exploration for target identification.
- Support advanced querying, scaffold comparison, and structure-based search.
- Ensure responsiveness and usability across large datasets.
Our approach
- Platform Design: Real-time SAR querying and visualization
- Compound Library Integration: Automated updates of proprietary compounds
- Advanced Querying: Hit identification across proteins and cysteine sites
- Dashboards & UI: Scaffold comparison, Marvin JS-based search
- Scalable Architecture: Backend to support growing SAR datasets
Our solution
Interactive chemoproteomics analytics platform
Excelra delivered a full-stack web application enabling intuitive, high-speed SAR analysis across chemoproteomics datasets—accelerating discovery and improving decision-making confidence.
Key features
- Compound visualization: Color-coded dot plots with density and match indicators
- Structure-based search: Marvin JS-enabled sketch and substructure search
- Scaffold comparison: Side-by-side analysis with bookmarking
- User experience: Clean, responsive interface showing compound and screen metadata
Technical architecture
- ETL pipelines: Transform JSON screening data into analysis-ready formats
- Amazon documentDB: Secure, scalable compound and SAR data storage
- Access control: Role-based authentication for secure usage
- APIs for search & visualization: Support fast, dynamic rendering
- Scalability: Seamless performance with expanding data and users
Figure: Technical architecture
High-level UI/UX features
- Render/display: Main compound map
- Filter and drilldown: By site, protein or with CR value
- Search functionality: By compound structure & text ID or for a protein
- Select multiple points: Sites and compare
- Display details: No of compounds, structure, parent scaffold, competition ratio associated measurements & enantiomer pair
- Bookmark: Save data mining results
- User interaction: Display tooltip when hovered and select nearest neighbour when selected & further zoom in out into graph
Impact and results
- 60% reduction in SAR analysis and prioritization time
- Improved target hit identification across large compound libraries
- Higher adoption due to intuitive UI and integrated workflows
Conclusion
By centralizing SAR workflows and empowering researchers with interactive analytics, Excelra’s platform delivers faster, more confident drug target identification and strengthens discovery pipelines.
